Vitas-M small molecule compound
(2E)-3-[2,5-dimethoxy-4-(pyrrolidin-1-yl)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK195715
SMILES N#C/C(=C/c1cc(OC)c(cc1OC)N1CCCC1)/c1ccc(cc1)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-27-20-13-19(23-9-3-4-10-23)21(28-2)12-16(20)11-17(14-22)15-5-7-18(8-6-15)24(25)26/h5-8,11-13H,3-4,9-10H2,1-2H3/b17-11-InChIKey
UJZPCSKHSQHLHF-BOPFTXTBSA-NSynonyms
(2E)3(25DIMETHOXY4(PYRROLIDIN1YL)PHENYL)2(4NITROPHENYL)PROP2ENENITRILE
(E)3(25DIMETHOXY4PYRROLIDIN1YLPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
COC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))OC)N3CCCC3
InChI=1SC21H21N3O4c127201319(239341023)21(282)1216(20)1117(1422)155718(8615)24(25)26h581113H34910H212H3b1711
MFCD04348743
N#CC(=Cc1cc(OC)c(cc1OC)N1CCCC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000012363425
ZINC12363425
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